Cas no 22255-07-8 (Methyl 6-hydroxyangolensate)

Methyl 6-hydroxyangolensate structure
Methyl 6-hydroxyangolensate structure
Product Name:Methyl 6-hydroxyangolensate
CAS No:22255-07-8
MF:C27H34O8
MW:486.554069042206
CID:837380
PubChem ID:3978635
Update Time:2025-04-19

Methyl 6-hydroxyangolensate Chemical and Physical Properties

Names and Identifiers

    • Methyl 6-hydroxyangolensate
    • Methyl (2S)-[(1S,3S,7R,8R,9R,12S,13R)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0<sup>1,12</sup>.0<sup>3,8</sup>]heptadec-7-yl](hydroxy)acetate
    • [ "" ]
    • 7,12a-Methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetic acid, 4-(3-furanyl)dodecahydro--hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-, methyl ester, (S,4S,4aS,7R,7aR,8R,11aS,12aS)-
    • 6-Methylhydroxyangolensate
    • HY-N3283
    • Methyl (2S)-2-[(1S,3S,7R,8R,9R,12S,13S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
    • 22255-07-8
    • AKOS032961724
    • FS-9607
    • CS-0023783
    • CHEBI:182099
    • Methyl 2-[13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
    • CID 40469567
    • methyl (2S)-2-[(1S,3S,7R,8R,9R,12S,13S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0^{1,12.0^{3,8]heptadecan-7-yl]-2-hydroxyacetate
    • PD118994
    • methyl 2-[13-(uran-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate
    • Methyl hydroxyangolensate
    • Inchi： 1S/C27H34O8/c1-14-16-7-9-25(4)22(15-8-10-33-13-15)34-19(29)12-27(14,25)35-18-11-17(28)24(2,3)21(26(16,18)5)20(30)23(31)32-6/h8,10,13,16,18,20-22,30H,1,7,9,11-12H2,2-6H3/t16-,18-,20-,21-,22-,25-,26-,27-/m0/s1
    • InChI Key： GOYZKWCPWBKPIG-KDSQYEHRSA-N
    • SMILES： O1[C@H]2CC(C(C)(C)[C@H]([C@@H](C(=O)OC)O)[C@@]2(C)[C@H]2CC[C@@]3(C)[C@H](C4=COC=C4)OC(C[C@@]13C2=C)=O)=O

Computed Properties

  • Exact Mass: 486.22500
  • Monoisotopic Mass: 486.22536804g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 4
  • Complexity: 972
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 112?2
  • XLogP3: 2.2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 630.0±55.0 °C at 760 mmHg
  • Flash Point: 334.8±31.5 °C
  • PSA: 112.27000
  • LogP: 3.53310
  • Vapor Pressure: 0.0±1.9 mmHg at 25°C

Methyl 6-hydroxyangolensate Security Information

Methyl 6-hydroxyangolensate Pricemore >>

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TRC
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TargetMol Chemicals
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